UCSF

ZINC22779075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 5.63 -26.4 1 4 1 25 259.377 3
Hi High (pH 8-9.5) 1.45 5.24 -8.85 0 4 0 24 258.369 3
Mid Mid (pH 6-8) 1.45 8.01 -79.33 2 4 2 26 260.385 3
Mid Mid (pH 6-8) 1.45 8.02 -96.58 2 4 2 26 260.385 3
Mid Mid (pH 6-8) 1.45 7.61 -34.94 1 4 1 25 259.377 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )